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1417789-06-0

1417789-06-0 | 3-Pyrrolidinol, 1-(6-nitro-2-quinoxalinyl)-, (3R)-

CAS No: 1417789-06-0 Catalog No: AG001H25 MDL No:MFCD22631723

Product Description

Catalog Number:
AG001H25
Chemical Name:
3-Pyrrolidinol, 1-(6-nitro-2-quinoxalinyl)-, (3R)-
CAS Number:
1417789-06-0
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
MDL Number:
MFCD22631723
IUPAC Name:
(3R)-1-(6-nitroquinoxalin-2-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C12H12N4O3/c17-9-3-4-15(7-9)12-6-13-11-5-8(16(18)19)1-2-10(11)14-12/h1-2,5-6,9,17H,3-4,7H2/t9-/m1/s1
InChI Key:
ZBKWOMJMWRYHNL-SECBINFHSA-N
SMILES:
O[C@@H]1CCN(C1)c1cnc2c(n1)ccc(c2)[N+](=O)[O-]

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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